2-piperidin-1-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride

C19H23Cl2N3O2 — CID 3058621

IUPAC2-piperidin-1-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCCCC1)c1cccnc1Nc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O2.ClH/c20-15-6-8-16(9-7-15)22-18-17(5-4-10-21-18)19(24)25-14-13-23-11-2-1-3-12-23;/h4-10H,1-3,11-14H2,(H,21,22);1H
InChIKeyPJGAFJMKWNSHHU-UHFFFAOYSA-N
MW396.32 g/mol
LogP4.54
Rot. Bonds6

About 2-piperidin-1-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride

2-piperidin-1-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride (PubChem CID 3058621) has the molecular formula C19H23Cl2N3O2 and a molecular weight of 396.32 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride
PubChem CID3058621
Molecular FormulaC19H23Cl2N3O2
Molecular Weight396.32 g/mol
Exact Mass395.12
IUPAC Name2-piperidin-1-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCCCC1)c1cccnc1Nc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O2.ClH/c20-15-6-8-16(9-7-15)22-18-17(5-4-10-21-18)19(24)25-14-13-23-11-2-1-3-12-23;/h4-10H,1-3,11-14H2,(H,21,22);1H
InChIKeyPJGAFJMKWNSHHU-UHFFFAOYSA-N
XLogP4.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride?
The IUPAC name of 2-piperidin-1-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride (CID 3058621) is 2-piperidin-1-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for 2-piperidin-1-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for 2-piperidin-1-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride is Cl.O=C(OCCN1CCCCC1)c1cccnc1Nc1ccc(Cl)cc1.
What is the InChIKey of 2-piperidin-1-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride?
The InChIKey is PJGAFJMKWNSHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2.ClH/c20-15-6-8-16(9-7-15)22-18-17(5-4-10-21-18)19(24)25-14-13-23-11-2-1-3-12-23;/h4-10H,1-3,11-14H2,(H,21,22);1H.
What are the key properties of 2-piperidin-1-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride?
2-piperidin-1-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride has a molecular weight of 396.32 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 3058621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).